5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

C18H19NO4 — CID 119245882

IUPAC5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(C(=O)O)o3)CC2)c1
InChIInChI=1S/C18H19NO4/c1-11-7-12(2)9-13(8-11)18(5-6-18)17(22)19-10-14-3-4-15(23-14)16(20)21/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGEUUPWFGFDRTRZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.94
Rot. Bonds5

About 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119245882) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119245882
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(C(=O)O)o3)CC2)c1
InChIInChI=1S/C18H19NO4/c1-11-7-12(2)9-13(8-11)18(5-6-18)17(22)19-10-14-3-4-15(23-14)16(20)21/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGEUUPWFGFDRTRZ-UHFFFAOYSA-N
XLogP2.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 75417030
4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46951727
1-(3,5-dimethylphenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 55853318
3-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 119236921
5-[[[2-(3-methylphenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 75356368
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid (CID 119245882) is 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is Cc1cc(C)cc(C2(C(=O)NCc3ccc(C(=O)O)o3)CC2)c1.
What is the InChIKey of 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is GEUUPWFGFDRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-7-12(2)9-13(8-11)18(5-6-18)17(22)19-10-14-3-4-15(23-14)16(20)21/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).